| SpectraBase Compound ID | 3ZBHoE8UYgW |
|---|---|
| InChI | InChI=1S/C12H22O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h11,13H,5-8H2,1-4H3 |
| InChIKey | URMYTFQNPNNDJL-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1O7e3kHL5A |
|---|---|
| Name | 3-Decyn-5-ol, 2,2-dimethyl-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h11,13H,5-8H2,1-4H3 |
| InChIKey | URMYTFQNPNNDJL-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(#CC(O)CCCCC)C(C)(C)C |